1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine

C14H21N3O3 — CID 81491606

IUPAC1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(C(C)c2cccc([N+](=O)[O-])c2)CCO1
InChIInChI=1S/C14H21N3O3/c1-10(15)14-9-16(6-7-20-14)11(2)12-4-3-5-13(8-12)17(18)19/h3-5,8,10-11,14H,6-7,9,15H2,1-2H3
InChIKeyNFOZICIRNAYYHR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.70
Rot. Bonds4

About 1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine

1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine (PubChem CID 81491606) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine
PubChem CID81491606
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(C(C)c2cccc([N+](=O)[O-])c2)CCO1
InChIInChI=1S/C14H21N3O3/c1-10(15)14-9-16(6-7-20-14)11(2)12-4-3-5-13(8-12)17(18)19/h3-5,8,10-11,14H,6-7,9,15H2,1-2H3
InChIKeyNFOZICIRNAYYHR-UHFFFAOYSA-N
XLogP1.70
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine
CID 81456943
1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315768
1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314847
1-[4-(2-iodo-4-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315849
1-[1-(3-nitrophenyl)ethyl]azocane
CID 55409923
1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314948
2-[1-[1-(3-nitrophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728507
N-methyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119923683
1-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491183
1-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]ethanamine
CID 115553962
1-(3-nitrophenyl)ethanamine;hydrochloride
CID 23105088
1-[1-(3-nitrophenyl)propyl]azetidin-3-amine
CID 65244856

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine (CID 81491606) is 1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine is CC(N)C1CN(C(C)c2cccc([N+](=O)[O-])c2)CCO1.
What is the InChIKey of 1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine?
The InChIKey is NFOZICIRNAYYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(15)14-9-16(6-7-20-14)11(2)12-4-3-5-13(8-12)17(18)19/h3-5,8,10-11,14H,6-7,9,15H2,1-2H3.
What are the key properties of 1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine?
1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine has a molecular weight of 279.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 81491606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).